%chk=000093864.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093864

0 1
 O   -1.930800      -1.589500     -1.9999999E-04
 O    4.365200      0.2260000      1.9999999E-04
 O   -3.886300      -2.775100      5.0000002E-04
 O    2.777000      -1.419300     -1.2000001E-03
 N    2.201300      0.8543000     -3.0000001E-04
 C   -2.013900      0.8519000     -1.9999999E-04
 C   -1.283800     -0.3375000     -6.9999998E-04
 C   -3.481200      0.7769000      5.0000002E-04
 C   0.8064000      0.8494000     -8.9999998E-04
 C   -1.295900       2.055300       0.000000    
 C   0.1121000     -0.3557000     -1.0000000E-03
 C   0.1037000       2.053100     -3.0000001E-04
 C   -4.069600     -0.4276000      6.0000003E-04
 C   -4.294900       2.038100      8.9999998E-04
 C   -3.313200      -1.691200      3.9999999E-04
 C    3.074300     -0.2311000     -7.9999998E-04
 C    5.387500     -0.7771000      6.9999998E-04
 C    6.742100     -0.1009000      1.7000000E-03
 H   -1.803700       3.016300      5.0000002E-04
 H   0.5856000      -1.327600     -1.1000000E-03
 H   0.6320000       3.003600      9.9999997E-05
 H   -5.151500     -0.5204000      1.0000000E-03
 H   -4.082700       2.638300     -0.8903000    
 H   -4.082300       2.638000      0.8922000    
 H   -5.370900       1.830100      1.0000000E-03
 H    2.641500       1.771400      3.0000001E-04
 H    5.285100      -1.401800      0.8949000    
 H    5.286300      -1.401400     -0.8940000    
 H    7.548100     -0.8399000      2.2000000E-03
 H    6.852300      0.5424000     -0.8775000    
 H    6.851100      0.5420000      0.8815000    


%chk=000093864-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093864

0 1
O -2.003349 -1.615249 -0.000200
O 4.398423 0.243181 0.000089
O -3.964369 -2.831645 -0.000307
O 2.811445 -1.498808 -0.000326
N 2.212373 0.799211 -0.000310
C -2.057764 0.849321 0.000254
C -1.339217 -0.385393 -0.000062
C -3.515912 0.813464 0.000401
C 0.799430 0.759317 -0.000116
C -1.286976 2.047216 0.000376
C 0.067174 -0.449366 -0.000249
C 0.111011 2.012101 0.000202
C -4.157549 -0.411522 0.000268
C -4.309692 2.101494 0.000681
C -3.460780 -1.692277 0.000048
C 3.094461 -0.277501 -0.000633
C 5.489581 -0.778697 0.000666
C 6.806593 -0.011139 0.001337
H -1.797268 3.015273 0.000605
H 0.569960 -1.417629 -0.000497
H 0.683863 2.946756 0.000295
H -5.248860 -0.478715 0.000333
H -4.076155 2.715369 -0.889513
H -4.076019 2.715069 0.891048
H -5.392591 1.899356 0.000730
H 2.659331 1.718736 -0.000164
H 5.368326 -1.413948 0.896205
H 5.369241 -1.413956 -0.894992
H 7.651017 -0.723879 0.001772
H 6.893043 0.627427 -0.894213
H 6.892127 0.627435 0.896972


